4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine

C11H20N4O4S2 — CID 90592398

IUPAC4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1
InChIInChI=1S/C11H20N4O4S2/c1-9(2)21(18,19)15-6-4-10(5-7-15)20(16,17)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3
InChIKeyYQCDSUDCRXRAFS-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.21
Rot. Bonds4

About 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine

4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine (PubChem CID 90592398) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
PubChem CID90592398
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1
InChIInChI=1S/C11H20N4O4S2/c1-9(2)21(18,19)15-6-4-10(5-7-15)20(16,17)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3
InChIKeyYQCDSUDCRXRAFS-UHFFFAOYSA-N
XLogP-0.21
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine (CID 90592398) is 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1.
What is the InChIKey of 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine?
The InChIKey is YQCDSUDCRXRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-9(2)21(18,19)15-6-4-10(5-7-15)20(16,17)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine?
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine has a molecular weight of 336.44 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 90592398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).